2-methyl-1,2,3,4-tetrahydroquinoline-1-sulfonamide

• ChemBase ID: 268900
• Molecular Formular: C10H14N2O2S
• Molecular Mass: 226.29536
• Monoisotopic Mass: 226.0775987
• SMILES: S(=O)(=O)(N1c2c(CCC1C)cccc2)N
• Canonical SMILES: CC1CCc2c(N1S(=O)(=O)N)cccc2
• InChI: InChI=1S/C10H14N2O2S/c1-8-6-7-9-4-2-3-5-10(9)12(8)15(11,13)14/h2-5,8H,6-7H2,1H3,(H2,11,13,14)
• InChIKey: POPNKFLRJQHYNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1,2,3,4-tetrahydroquinoline-1-sulfonamide
• IUPAC Traditional name: 2-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide
• Synonyms: 2-methyl-1,2,3,4-tetrahydroquinoline-1-sulfonamide

Database IDs

• MDL Number: MFCD11205220
• PubChem SID: 164324810
• PubChem CID: 43132053

CALCULATED PROPERTIES

• Acid pKa: 10.20899
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0150313
• LogD (pH = 7.4): 1.0144421
• Log P: 1.0150388
• Molar Refractivity: 58.742 cm^3
• Polarizability: 23.79893 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.385

Product Information

• Purity: 95%